AG01ENVI

Name: DM1-SMe
Brand: Angene Chemical
SKU: AG01ENVI

138148-68-2 | DM1-SMe

AG01ENVI

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CAS Number	138148-68-2
Catalog Number	AG01ENVI(AGN-PC-0PMA92)
Chemical Name	DM1-SMe
IUPAC Name	[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoate
InChI	InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1
InChI Key	ZLUUPZXOPGORNG-JLZGXKMHSA-N
MDL Number	MFCD28400100
Molecular Formula	C36H50ClN3O10S2
Molecular Weight	784.3793
SMILES	C[C@]12[C@@](O1)([C@H](C)[C@@]3(C[C@](O)([C@H](OC)/C=C/C=C(\C)/CC4=CC(N(C)C(=O)C[C@@H]2OC([C@@H](N(C(CCSSC)=O)C)C)=O)=C(Cl)C(OC)=C4)NC(=O)O3)[H])[H]
Synonyms	DM1-Sme, 138148-68-2, SCHEMBL15841008, EX-A1047, MFCD28400100, ZINC196148423, N2'-Deacetyl-N2'-[3-(methyldithio)-1-oxopropyl]-maytansine, CID 9853784, CID11650734,

Complexity	1370
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	2
Exact Mass	783.263g/mol
Formal Charge	0
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	784.377g/mol
Monoisotopic Mass	783.263g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	207A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited